SCHEMBL8038641

SCHEMBL8038641

Cc1ccc(S(=O)(=O)N=C(N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 1.00
PRSS1 P07477 16/20 1.00
PRSS2 P07478 16/20 1.00
PRSS3 P35030 16/20 1.00
LMNA P02545 1/20 0.68
AGO2 Q9UKV8 1/20 0.68
HTT P42858 1/20 0.61
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30873929 0.86 F2 (0.75) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL1564090 0.81 HTT (0.69) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL5448156 0.81 HTT (0.69) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL10829745 0.81 F2 (0.68) F2PRSS1PRSS2PRSS3LMNA
Sulfaguanidine SCHEMBL1650003 0.81 F2 (1.00) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL22699663 0.81 F2 (0.68) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL4028479 0.79 F2 (0.66) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL10425537 0.78 F2 (0.67) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL30873924 0.78 F2 (0.64) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL9057442 0.78 F2 (0.63) F2PRSS1PRSS2PRSS3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1305846-C Urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2007-03-21 CN claimed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN claimed
CN-1305846-C Urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2007-03-21 CN disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-0983232-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-08 EP disclosed
WO-1998052917-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 WO disclosed
EP-0637318-B1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
US-5686564-A Peptide derivatives corresponding to the carboxy terminal sequence of hirudin NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
EP-0693081-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION Novartis AG (CH) 1996-01-24 EP disclosed
EP-0637318-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN Novartis AG (CH) 1995-02-08 EP disclosed
WO-1994024153-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed
US-5354843-A Flanking peptides of calcitonin and processes for their manufacture CIBA-GEIGY CORPORATION (US) 1994-10-11 US disclosed
WO-1993022344-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA-GEIGY AG (CH) 1993-11-11 WO disclosed